5-fluoro-4-methoxy-1H-imidazole

C4H5FN2O — CID 146393284

IUPAC5-fluoro-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1F
InChIInChI=1S/C4H5FN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7)
InChIKeyQWZVKFIRHGXFCP-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.56
Rot. Bonds1

About 5-fluoro-4-methoxy-1H-imidazole

5-fluoro-4-methoxy-1H-imidazole (PubChem CID 146393284) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-fluoro-4-methoxy-1H-imidazole
PubChem CID146393284
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name5-fluoro-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1F
InChIInChI=1S/C4H5FN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7)
InChIKeyQWZVKFIRHGXFCP-UHFFFAOYSA-N
XLogP0.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethoxy)-1H-imidazol-5-amine
CID 23546857
(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate
CID 23546860
4,5-dimethoxy-1H-imidazole
CID 89659500
5-iodo-4-methoxy-1H-imidazole
CID 146393167
5-bromo-4-methoxy-1H-imidazole
CID 153280117
CID 161129435
CID 161129435
(5-amino-1H-imidazol-4-yl) formate
CID 174827703
4-ethoxy-1H-imidazol-5-amine
CID 83619684

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-1H-imidazole?
The IUPAC name of 5-fluoro-4-methoxy-1H-imidazole (CID 146393284) is 5-fluoro-4-methoxy-1H-imidazole.
What is the SMILES notation for 5-fluoro-4-methoxy-1H-imidazole?
The canonical SMILES for 5-fluoro-4-methoxy-1H-imidazole is COc1nc[nH]c1F.
What is the InChIKey of 5-fluoro-4-methoxy-1H-imidazole?
The InChIKey is QWZVKFIRHGXFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7).
What are the key properties of 5-fluoro-4-methoxy-1H-imidazole?
5-fluoro-4-methoxy-1H-imidazole has a molecular weight of 116.09 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-1H-imidazole is sourced from PubChem (CID 146393284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).